methane;pentane;propane

C12H36 — CID 169428492

IUPACmethane;pentane;propane
SMILESC.C.C.C.CCC.CCCCC
InChIInChI=1S/C5H12.C3H8.4CH4/c1-3-5-4-2;1-3-2;;;;/h3-5H2,1-2H3;3H2,1-2H3;4*1H4
InChIKeyPMWQWRWXWWZYBX-UHFFFAOYSA-N
MW180.42 g/mol
LogP6.16
Rot. Bonds2

About methane;pentane;propane

methane;pentane;propane (PubChem CID 169428492) has the molecular formula C12H36 and a molecular weight of 180.42 g/mol. Its IUPAC name is methane;pentane;propane.

Molecular Properties

Compound Namemethane;pentane;propane
PubChem CID169428492
Molecular FormulaC12H36
Molecular Weight180.42 g/mol
Exact Mass180.28
IUPAC Namemethane;pentane;propane
SMILESC.C.C.C.CCC.CCCCC
InChIInChI=1S/C5H12.C3H8.4CH4/c1-3-5-4-2;1-3-2;;;;/h3-5H2,1-2H3;3H2,1-2H3;4*1H4
InChIKeyPMWQWRWXWWZYBX-UHFFFAOYSA-N
XLogP6.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500180.42
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methane;pentane;propane?
The IUPAC name of methane;pentane;propane (CID 169428492) is methane;pentane;propane.
What is the SMILES notation for methane;pentane;propane?
The canonical SMILES for methane;pentane;propane is C.C.C.C.CCC.CCCCC.
What is the InChIKey of methane;pentane;propane?
The InChIKey is PMWQWRWXWWZYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12.C3H8.4CH4/c1-3-5-4-2;1-3-2;;;;/h3-5H2,1-2H3;3H2,1-2H3;4*1H4.
What are the key properties of methane;pentane;propane?
methane;pentane;propane has a molecular weight of 180.42 g/mol, XLogP of 6.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;pentane;propane is sourced from PubChem (CID 169428492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).